SCHEMBL3464677

SCHEMBL3464677

Cc1[nH]nc(-c2cnco2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
PTK2 Q05397 1/20 0.35
LTA4H P09960 1/20 0.35
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LRRK2 Q5S007 5/20 0.33
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KEAP1 Q14145 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
IMPDH2 P12268 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MAP4K4 O95819 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16200291 0.79 GAA (0.41) NOTUMLMNAPKMPTK2GAA
SCHEMBL23792568 0.67 NOTUM (0.39) NOTUMLMNAPKMPTK2LTA4H
SCHEMBL3464192 0.66 LRRK2 (0.43) LRRK2
SCHEMBL16200111 0.66 HCAR2 (0.33) HCAR2
SCHEMBL16200321 0.66 HCAR2 (0.33) GAAHCAR2LRRK2MEN1KMT2A
SCHEMBL3464003 0.64 MAP2K4 (0.55) PTK2LRRK2CYP3A4MAP4K4
SCHEMBL2875179 0.63 AKT2 (0.50) LMNAGAAHCAR2KMT2A
SCHEMBL3465241 0.62 CHEK1 (0.43) NOTUMGAAMEN1KMT2ACYP3A4
SCHEMBL13162522 0.62 HPGDS (0.45) PKMGAAHCAR2LRRK2MEN1
SCHEMBL16200324 0.62 HCAR2 (0.33) GAAHCAR2MEN1KMT2ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4580/4885LMNA 4351/4885PKM 4564/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NOTUM 4580/4885LMNA 4351/4885PKM 4564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.